2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole

C12H15F2N — CID 84678421

IUPAC2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NC(C(C)(F)F)C2
InChIInChI=1S/C12H15F2N/c1-3-8-4-5-9-7-11(12(2,13)14)15-10(9)6-8/h4-6,11,15H,3,7H2,1-2H3
InChIKeyKIIOEDOIVUGROQ-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.24
Rot. Bonds2

About 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole

2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole (PubChem CID 84678421) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
PubChem CID84678421
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NC(C(C)(F)F)C2
InChIInChI=1S/C12H15F2N/c1-3-8-4-5-9-7-11(12(2,13)14)15-10(9)6-8/h4-6,11,15H,3,7H2,1-2H3
InChIKeyKIIOEDOIVUGROQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indoline
CID 10328
2-Methylindoline
CID 23305
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
5-Fluoroindoline
CID 2774463
2,3,3-Trimethylindoline
CID 10942760
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
(S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735305
(S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735309
(4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 20824945

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole (CID 84678421) is 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole is CCc1ccc2c(c1)NC(C(C)(F)F)C2.
What is the InChIKey of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
The InChIKey is KIIOEDOIVUGROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-3-8-4-5-9-7-11(12(2,13)14)15-10(9)6-8/h4-6,11,15H,3,7H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole has a molecular weight of 211.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 84678421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).